N-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)-1-cyclohexa-1,5-dienyl]methyl]-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]-2-(5-bromo-1H-indol-3-yl)cinchoninamide Formula: C26H23BrN4O MolecularWeight: 487.39102

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1CN)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1C=C(C=CC1CN)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C26H23BrN4O/c27-18-9-10-23-20(11-18)22(15-29-23)25-12-21(19-3-1-2-4-24(19)31-25)26(32)30-14-17-7-5-16(13-28)6-8-17/h1-5,7-12,15-16,29H,6,13-14,28H2,(H,30,32)